#include <EvaluateGridFunction.h>

Inheritance diagram for PLMD::gridtools::EvaluateGridFunction:

Public Member Functions
bool	allComponentsRequired (const std::vector< Value * > &args, const std::vector< ActionWithVector * > &actions)

void	applyForce (const ActionWithArguments *action, const std::vector< double > &args, const double &force, std::vector< double > &forcesToApply) const
	This is used to apply forces in interpolate. More...

void	calc (const ActionWithArguments *action, const std::vector< double > &args, std::vector< double > &vals, Matrix< double > &derivatives) const override

virtual bool	derivativesImplemented ()
	Override this function if you have not implemented the derivatives. More...

virtual bool	doWithTasks () const

unsigned	getArgStart () const override

virtual std::vector< Value * >	getArgumentsToCheck (const std::vector< Value * > &args)

virtual std::vector< std::string >	getComponentsPerLabel () const

virtual bool	getDerivativeZeroIfValueIsZero () const

virtual std::string	getGraphInfo (const std::string &lab) const

const GridCoordinatesObject &	getGridObject () const
	This gets the grid object. More...

const std::vector< double > &	getGridSpacing () const
	Get the grid spacing. More...

std::vector< std::string >	getMax () const
	Get the vector containing the maximum value of the grid in each dimension. More...

std::vector< std::string >	getMin () const
	Get the vector containing the minimum value of the grid in each dimension. More...

std::vector< unsigned >	getNbin () const
	Get the number of grid points in each direction. More...

std::vector< bool >	getPbc () const
	Get the periodicity of the grid. More...

void	read (ActionWithArguments *action) override

void	registerKeywords (Keywords &keys) override
	This is used to setup the input gridobject's bounds with the grid data from values. More...

virtual void	setPeriodicityForOutputs (ActionWithValue *action)

virtual void	setPrefactor (ActionWithArguments *action, const double pref)

void	setup (ActionWithValue *action) override

virtual bool	zeroRank () const

Protected Member Functions
template<class T >
void	parse (Action *action, const std::string &key, T &t)
	Parse a keyword from the input as a value. More...

void	parseFlag (Action *action, const std::string &key, bool &t)
	Parse a keyword from the input as a flag. More...

template<class T >
void	parseVector (Action *action, const std::string &key, std::vector< T > &t)
	Parse a keyword from the input as a vector. More...

Protected Attributes
bool	noderiv = false
	Are we using derivatives. More...

Private Types
enum	{ spline, linear, floor, ceiling }
	How are we doing interpolation. More...

Private Attributes
GridCoordinatesObject	gridobject
	Holds the information on the grid. More...

enum PLMD::gridtools::EvaluateGridFunction:: { ... }	interpolation_type
	How are we doing interpolation. More...

bool	set_zero_outside_range
	How should we set the value of this function outside the range. More...

std::unique_ptr< Interpolator >	spline_interpolator
	This does the interpolating. More...

Member Enumeration Documentation

◆ anonymous enum

anonymous enum

private

How are we doing interpolation.

Enumerator
spline
linear
floor
ceiling

Member Function Documentation

◆ allComponentsRequired()

bool PLMD::function::FunctionTemplateBase::allComponentsRequired	(	const std::vector< Value * > &	args,
		const std::vector< ActionWithVector * > &	actions
	)

inlineinherited

◆ applyForce()

void PLMD::gridtools::EvaluateGridFunction::applyForce	(	const ActionWithArguments *	action,
		const std::vector< double > &	args,
		const double &	force,
		std::vector< double > &	forcesToApply
	)		const

This is used to apply forces in interpolate.

◆ calc()

void PLMD::gridtools::EvaluateGridFunction::calc	(	const ActionWithArguments *	action,
		const std::vector< double > &	args,
		std::vector< double > &	vals,
		Matrix< double > &	derivatives
	)		const

overridevirtual

Implements PLMD::function::FunctionTemplateBase.

◆ derivativesImplemented()

virtual bool PLMD::function::FunctionTemplateBase::derivativesImplemented ( )

inlinevirtualinherited

Override this function if you have not implemented the derivatives.

Reimplemented in PLMD::function::Bessel.

◆ doWithTasks()

virtual bool PLMD::function::FunctionTemplateBase::doWithTasks ( ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Highest, PLMD::function::Sort, and PLMD::function::Moments.

◆ getArgStart()

unsigned PLMD::gridtools::EvaluateGridFunction::getArgStart ( ) const

inlineoverridevirtual

Reimplemented from PLMD::function::FunctionTemplateBase.

◆ getArgumentsToCheck()

std::vector< Value * > PLMD::function::FunctionTemplateBase::getArgumentsToCheck ( const std::vector< Value * > & args )

inlinevirtualinherited

Reimplemented in PLMD::function::Custom.

◆ getComponentsPerLabel()

std::vector< std::string > PLMD::function::FunctionTemplateBase::getComponentsPerLabel ( ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Sort, PLMD::function::Moments, and PLMD::symfunc::SphericalHarmonic.

◆ getDerivativeZeroIfValueIsZero()

virtual bool PLMD::function::FunctionTemplateBase::getDerivativeZeroIfValueIsZero ( ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Custom, PLMD::function::LessThan, PLMD::function::MoreThan, and PLMD::function::Between.

◆ getGraphInfo()

std::string PLMD::function::FunctionTemplateBase::getGraphInfo ( const std::string & lab ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Custom.

◆ getGridObject()

const GridCoordinatesObject & PLMD::gridtools::EvaluateGridFunction::getGridObject ( ) const

inline

This gets the grid object.

◆ getGridSpacing()

const std::vector< double > & PLMD::gridtools::EvaluateGridFunction::getGridSpacing ( ) const

inline

Get the grid spacing.

◆ getMax()

std::vector< std::string > PLMD::gridtools::EvaluateGridFunction::getMax ( ) const

inline

Get the vector containing the maximum value of the grid in each dimension.

◆ getMin()

std::vector< std::string > PLMD::gridtools::EvaluateGridFunction::getMin ( ) const

inline

Get the vector containing the minimum value of the grid in each dimension.

◆ getNbin()

std::vector< unsigned > PLMD::gridtools::EvaluateGridFunction::getNbin ( ) const

inline

Get the number of grid points in each direction.

◆ getPbc()

std::vector< bool > PLMD::gridtools::EvaluateGridFunction::getPbc ( ) const

Get the periodicity of the grid.

◆ parse()

template<class T >

void PLMD::function::FunctionTemplateBase::parse	(	Action *	action,
		const std::string &	key,
		T &	t
	)

protectedinherited

Parse a keyword from the input as a value.

◆ parseFlag()

void PLMD::function::FunctionTemplateBase::parseFlag	(	Action *	action,
		const std::string &	key,
		bool &	t
	)

inlineprotectedinherited

Parse a keyword from the input as a flag.

◆ parseVector()

template<class T >

void PLMD::function::FunctionTemplateBase::parseVector	(	Action *	action,
		const std::string &	key,
		std::vector< T > &	t
	)

protectedinherited

Parse a keyword from the input as a vector.

◆ read()

void PLMD::gridtools::EvaluateGridFunction::read ( ActionWithArguments * action )

overridevirtual

Implements PLMD::function::FunctionTemplateBase.

◆ registerKeywords()

void PLMD::gridtools::EvaluateGridFunction::registerKeywords ( Keywords & keys )

overridevirtual

This is used to setup the input gridobject's bounds with the grid data from values.

Implements PLMD::function::FunctionTemplateBase.

◆ setPeriodicityForOutputs()

void PLMD::function::FunctionTemplateBase::setPeriodicityForOutputs ( ActionWithValue * action )

inlinevirtualinherited

Reimplemented in PLMD::function::Sort, PLMD::function::Piecewise, PLMD::function::Moments, PLMD::refdist::Difference, PLMD::symfunc::SphericalHarmonic, and PLMD::symfunc::CylindricalHarmonic.

◆ setPrefactor()

virtual void PLMD::function::FunctionTemplateBase::setPrefactor	(	ActionWithArguments *	action,
		const double	pref
	)

inlinevirtualinherited

Reimplemented in PLMD::function::Sum.

◆ setup()

void PLMD::gridtools::EvaluateGridFunction::setup ( ActionWithValue * action )

overridevirtual

Reimplemented from PLMD::function::FunctionTemplateBase.

◆ zeroRank()

virtual bool PLMD::function::FunctionTemplateBase::zeroRank ( ) const

inlinevirtualinherited

Reimplemented in PLMD::function::Highest, PLMD::function::Sort, PLMD::function::Moments, and PLMD::function::Sum.

Member Data Documentation

◆ gridobject

GridCoordinatesObject PLMD::gridtools::EvaluateGridFunction::gridobject

private

Holds the information on the grid.

◆ interpolation_type

enum { ... } PLMD::gridtools::EvaluateGridFunction::interpolation_type

How are we doing interpolation.

◆ noderiv

bool PLMD::function::FunctionTemplateBase::noderiv = false

protectedinherited

Are we using derivatives.

◆ set_zero_outside_range

bool PLMD::gridtools::EvaluateGridFunction::set_zero_outside_range

private

How should we set the value of this function outside the range.

◆ spline_interpolator

std::unique_ptr<Interpolator> PLMD::gridtools::EvaluateGridFunction::spline_interpolator

private

This does the interpolating.

The documentation for this class was generated from the following files:

gridtools/EvaluateGridFunction.h
gridtools/EvaluateGridFunction.cpp

Public Member Functions

Protected Member Functions

Protected Attributes

Private Types

Private Attributes

Member Enumeration Documentation

◆ anonymous enum

Member Function Documentation

◆ allComponentsRequired()

◆ applyForce()

◆ calc()

◆ derivativesImplemented()

◆ doWithTasks()

◆ getArgStart()

◆ getArgumentsToCheck()

◆ getComponentsPerLabel()

◆ getDerivativeZeroIfValueIsZero()

◆ getGraphInfo()

◆ getGridObject()

◆ getGridSpacing()

◆ getMax()

◆ getMin()

◆ getNbin()

◆ getPbc()

◆ parse()

◆ parseFlag()

◆ parseVector()

◆ read()

◆ registerKeywords()

◆ setPeriodicityForOutputs()

◆ setPrefactor()

◆ setup()

◆ zeroRank()

Member Data Documentation

◆ gridobject

◆ interpolation_type

◆ noderiv

◆ set_zero_outside_range

◆ spline_interpolator